CID 146649283

2431970-36-2

Structural Information

Molecular Formula
C17H17F2N5OS
SMILES
CC1=C(N=C(S1)N(C#N)C2=CC(=NC(=C2)F)F)C(=O)NC3CCC3(C)C
InChI
InChI=1S/C17H17F2N5OS/c1-9-14(15(25)21-11-4-5-17(11,2)3)23-16(26-9)24(8-20)10-6-12(18)22-13(19)7-10/h6-7,11H,4-5H2,1-3H3,(H,21,25)
InChIKey
HGXDYWLLAKOYTF-UHFFFAOYSA-N
Compound name
2-[cyano-(2,6-difluoropyridin-4-yl)amino]-N-(2,2-dimethylcyclobutyl)-5-methyl-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

377.11218 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11946 184.4
[M+Na]+ 400.10140 191.6
[M-H]- 376.10490 188.5
[M+NH4]+ 395.14600 190.3
[M+K]+ 416.07534 191.3
[M+H-H2O]+ 360.10944 162.2
[M+HCOO]- 422.11038 194.8
[M+CH3COO]- 436.12603 233.8
[M+Na-2H]- 398.08685 180.9
[M]+ 377.11163 187.5
[M]- 377.11273 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe